4-N,5-N-bis(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide

C19H18N4O4 — CID 1104762

IUPAC4-N,5-N-bis(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCOc1ccccc1NC(=O)c1nc[nH]c1C(=O)Nc1ccccc1OC
InChIInChI=1S/C19H18N4O4/c1-26-14-9-5-3-7-12(14)22-18(24)16-17(21-11-20-16)19(25)23-13-8-4-6-10-15(13)27-2/h3-11H,1-2H3,(H,20,21)(H,22,24)(H,23,25)
InChIKeyVCUKLUJYKUXHKQ-UHFFFAOYSA-N
MW366.38 g/mol
LogP2.93
Rot. Bonds6

About 4-N,5-N-bis(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide

4-N,5-N-bis(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 1104762) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is 4-N,5-N-bis(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N,5-N-bis(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID1104762
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name4-N,5-N-bis(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCOc1ccccc1NC(=O)c1nc[nH]c1C(=O)Nc1ccccc1OC
InChIInChI=1S/C19H18N4O4/c1-26-14-9-5-3-7-12(14)22-18(24)16-17(21-11-20-16)19(25)23-13-8-4-6-10-15(13)27-2/h3-11H,1-2H3,(H,20,21)(H,22,24)(H,23,25)
InChIKeyVCUKLUJYKUXHKQ-UHFFFAOYSA-N
XLogP2.93
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N,5-N-bis(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 4-N,5-N-bis(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide (CID 1104762) is 4-N,5-N-bis(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N,5-N-bis(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 4-N,5-N-bis(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide is COc1ccccc1NC(=O)c1nc[nH]c1C(=O)Nc1ccccc1OC.
What is the InChIKey of 4-N,5-N-bis(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is VCUKLUJYKUXHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-26-14-9-5-3-7-12(14)22-18(24)16-17(21-11-20-16)19(25)23-13-8-4-6-10-15(13)27-2/h3-11H,1-2H3,(H,20,21)(H,22,24)(H,23,25).
What are the key properties of 4-N,5-N-bis(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide?
4-N,5-N-bis(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 366.38 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-N-bis(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 1104762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).